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40644-14-2

40644-14-2 | 1,3-Dihydro-5-iodo-2H-benzimidazol-2-one

CAS No: 40644-14-2 Catalog No: AG0038R6 MDL No:MFCD05663527

Product Description

Catalog Number:
AG0038R6
Chemical Name:
1,3-Dihydro-5-iodo-2H-benzimidazol-2-one
CAS Number:
40644-14-2
Molecular Formula:
C7H5IN2O
Molecular Weight:
260.0319
MDL Number:
MFCD05663527
IUPAC Name:
5-iodo-1,3-dihydrobenzimidazol-2-one
InChI:
InChI=1S/C7H5IN2O/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,(H2,9,10,11)
InChI Key:
MCYVBTDFXAZDHA-UHFFFAOYSA-N
SMILES:
Ic1ccc2c(c1)[nH]c(=O)[nH]2

Properties

Complexity:
185  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.945g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
260.034g/mol
Monoisotopic Mass:
259.945g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

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